2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C11H14N2S2 — CID 106481531

IUPAC2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(C2CCCC2)[nH]c2c1CSC2
InChIInChI=1S/C11H14N2S2/c14-11-8-5-15-6-9(8)12-10(13-11)7-3-1-2-4-7/h7H,1-6H2,(H,12,13,14)
InChIKeyMZNNJJLZCPAYDN-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.54
Rot. Bonds1

About 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481531) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481531
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(C2CCCC2)[nH]c2c1CSC2
InChIInChI=1S/C11H14N2S2/c14-11-8-5-15-6-9(8)12-10(13-11)7-3-1-2-4-7/h7H,1-6H2,(H,12,13,14)
InChIKeyMZNNJJLZCPAYDN-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-difluorocyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 114217023
2-(4-methylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481537
2-(4-ethylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481541
2-(3-methylbutyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481562
2-(cyclopropylmethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481574
2-cycloheptyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481583
2-(thian-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481626
2-cyclohexyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481641
2-(3-methylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481649
2-(3-methylcyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481655
2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481695
2-(2-Methylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine-4(1H)-thione
CID 106481719

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481531) is 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is S=c1nc(C2CCCC2)[nH]c2c1CSC2.
What is the InChIKey of 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is MZNNJJLZCPAYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c14-11-8-5-15-6-9(8)12-10(13-11)7-3-1-2-4-7/h7H,1-6H2,(H,12,13,14).
What are the key properties of 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 238.38 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).